3-(phenylmethyl)sulfonyl-1,2-diazinane-3-carboxylate

Systemtic Name: 3-(phenylmethyl)sulfonyl-1,2-diazinane-3-carboxylate Openeye Name: 3-benzylsulfonylhexahydropyridazine-3-carboxylate CAS Name: 3-(phenylmethyl)sulfonyl-3-diazinanecarboxylate IUPAC Name: 3-benzylsulfonyldiazinane-3-carboxylate Traditional Name: 3-benzylsulfonylhexahydropyridazine-3-carboxylate Formula: C12H15N2O4S- MolecularWeight: 283.3235

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NNC1)(C(=O)[O-])S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CC(NNC1)(C(=O)[O-])S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O4S/c15-11(16)12(7-4-8-13-14-12)19(17,18)9-10-5-2-1-3-6-10/h1-3,5-6,13-14H,4,7-9H2,(H,15,16)/p-1